5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide

C11H16FN3O — CID 77004439

IUPAC5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCC(C)N(C)c1ccc(F)cc1C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-7(2)15(3)10-5-4-8(12)6-9(10)11(13)14-16/h4-7,16H,1-3H3,(H2,13,14)
InChIKeySZGGLVCTWWZCDG-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.76
Rot. Bonds3

About 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide

5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide (PubChem CID 77004439) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
PubChem CID77004439
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
SMILESCC(C)N(C)c1ccc(F)cc1C(N)=NO
InChIInChI=1S/C11H16FN3O/c1-7(2)15(3)10-5-4-8(12)6-9(10)11(13)14-16/h4-7,16H,1-3H3,(H2,13,14)
InChIKeySZGGLVCTWWZCDG-UHFFFAOYSA-N
XLogP1.76
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N'-hydroxy-2-[pentyl(propan-2-yl)amino]benzenecarboximidamide
CID 77004426
2-[3-(dimethylamino)propyl-methylamino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017330
2-bromo-3-fluoro-N'-hydroxy-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 107535799
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
2-[ethyl(2-methylpropyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004495
2-[cyclopropylmethyl(propan-2-yl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004521
5-fluoro-N'-hydroxy-2-(N,2,4-trimethylanilino)benzenecarboximidamide
CID 77004251
5-fluoro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490936
3-bromo-N'-hydroxy-4-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 82800121
2-(4-fluoro-N-methylanilino)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929880
2-[[bis(2-methylpropyl)amino]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994337
N'-hydroxy-2-[methyl(pentan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43572150

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
The IUPAC name of 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide (CID 77004439) is 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide is CC(C)N(C)c1ccc(F)cc1C(N)=NO.
What is the InChIKey of 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
The InChIKey is SZGGLVCTWWZCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-7(2)15(3)10-5-4-8(12)6-9(10)11(13)14-16/h4-7,16H,1-3H3,(H2,13,14).
What are the key properties of 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide?
5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide has a molecular weight of 225.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N'-hydroxy-2-[methyl(propan-2-yl)amino]benzenecarboximidamide is sourced from PubChem (CID 77004439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).